KL-MDK3-144_11.12.23.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -KL-MDK3-144_11.12.23 date: 2023-12-11T18:06:37.000Z isFt: false name: KL-MDK3-144_11.12.23/2 phc0: 84.24 phc1: 0 type: NMR FID...
Source: KL-MDK3-144_11.12.23.1d
Chemical Info
InChI | InChI=1S/C41H65NO5Si2/c1-28-19-17-23-32(46-48(10,11)39(4,5)6)25-26-35(43)45-41-33(24-18-20-28)37(47-49(12,13)40(7,8)9)30(3)29(2)36(41)34(42-38(41)44)27-31-21-15-14-16-22-31/h14-16,18,21-22,24-26,28-29,32-34,36-37H,3,17,19-20,23,27H2,1-2,4-13H3,(H,42,44)/b24-18+,26-25+/t28-,29-,32-,33+,34+,36+,37-,41-/m1/s1 |
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SMILES | C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O[Si](C)(C)C(C)(C)C |
InChI Key | GNABLGMVEATFIO-WRHYBGTASA-N |
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Additional Information
Field | Value |
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Data last updated | April 22, 2024 |
Metadata last updated | April 22, 2024 |
Created | April 22, 2024 |
Format | HTML |
License | Attribution-NonCommercial-NoDerivs 4.0 International |
Id | 7b16d7c8-5ead-488f-9503-c3a58911526b |
Package id | nmrxiv-d2110 |
Resource type | HTML |
State | active |